1,2,3-trimethylcyclopentadienyl lithium salt

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: 1,2,3-trimethylcyclopentadienyl lithium salt
• 英文别名: 1,2,3-trimethylcyclopentadienyllithium；lithium;1,2,3-trimethylcyclopenta-1,3-diene
• 化学式: C₈H₁₁*Li
• 分子量: 114.116
• InChiKey: GMUBONBSIDPLGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.67
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,2,3-trimethylcyclopentadienyl lithium salt 以 四氢呋喃 、 乙二醇二甲醚 为溶剂， 反应 78.0h， 生成
  参考文献：
  名称：

  A new phosphine-functionalised [1]ferrocenophane and its use in the functionalisation of mesoporous silicas

  摘要：

  从 1,2,3-三甲基环戊二烯开始，制备了过甲基化膦功能化环戊二烯配体系统 Li2[Me2Si(2,3,4-Me3-5-Ph2C5)2]。利用这种配体制备了新型双（二苯基）膦功能化硅基桥接 [1] 二茂铁，即 rac-Fe[Me2Si(2,3,4-Me3-5-Ph2C5)2]。rac-Fe [Me2Si(2,3,4-Me3-5-Ph2C5)2]与介孔硅 MCM-41、MCM-48 和 SBA-15 反应，导致二茂铁桥开环，并将二茂铁磷单元固定在硅表面。

  DOI：

  10.1039/b513133b
• 作为产物：
  描述：

  3,4-二甲基-己烷-2,5-二酮 在 甲基锂 作用下， 以 乙醚 为溶剂， 生成 1,2,3-trimethylcyclopentadienyl lithium salt
  参考文献：
  名称：

  Cyclopentadiene with two coordinating sites: 1,5-bis(diphenylphosphino) -2,3,4-trimethylcyclopenta-1,3-diene

  摘要：

  The possibility of obtaining the new bidentate 1,2-diphenylphosphinocyclopentadienyl ligand has been studied. 1,5-bis(diphenylphosphino)-2,3,4-trimethylcyclopenta-1,3-diene can be formed from butanone and chlorodiphenylphosphine in eight steps. The results of chemical and spectroscopic studies reveal that a 1,5-sigmatropic migration of the diphenylphosphino group takes place: the 1,2-diphenylphosphino-substituted species are converted into 1,3 species.

  DOI：

  10.1016/s0022-328x(96)06773-3

文献信息

• Influence of increasing steric demand on isomerization of terminal alkenes catalyzed by bifunctional ruthenium complexes
  作者：Alexey V. Smarun、Wahyu Shahreel、Steven Pramono、Shin Yi Koo、Lai Yoong Tan、Rakesh Ganguly、Dragoslav Vidović

  DOI：10.1016/j.jorganchem.2017.01.023

  日期：2017.4

  cyclopentadienyl- and imidazolyl-phosphine-containing Ru-based complexes bearing a different degree of the Cp-ring methylation has been attempted. According to experimental and structural data the steric factors prevented the formation of the last complex in the series that contains permethylated Cp ring. These complexes were then subjected to alkene isomerization using 1-hexene. The rate of isomerization

  已尝试制备一系列具有不同程度的Cp环甲基化的含环戊二烯基和咪唑基膦的Ru基络合物。根据实验和结构数据，空间因素阻止了含有全甲基化Cp环的系列中最后一个复合物的形成。然后使用1-己烯将这些络合物进行烯烃异构化。通常，异构化速率随着Cp-环甲基化的增加而降低，这表明初始的烯烃配位和/或咪唑基N去配位步骤在整个机理中受到限制。
• Titanium and Zirconium Permethylpentalene Complexes, Pn*MCp^RX, as Ethylene Polymerization Catalysts
  作者：Duncan A. X. Fraser、Zoë R. Turner、Jean-Charles Buffet、Dermot O’Hare

  DOI：10.1021/acs.organomet.6b00417

  日期：2016.8.22

  A family of group 4 permethylpentalene complexes, Pn*(MCpX)-X-R (M = Ti, Zr; Cp-R = Cp, Cp-Me, Cp-iBu, Cp-nBu, Cp-Me3, Ind; X = Cl, Me), has been synthesized and fully characterized by multinuclear NMR spectroscopy, elemental analysis, and single-crystal X-ray diffraction studies. These complexes were immobilized on an insoluble polymethylaluminoxane (sMAO), MAO-modified silica (ssMAO), and a MAO-modified layered double hydroxide (LDH-MAO). The effect of substitution around the Cp ligand was examined in relation to their performance (activity, M-W, PDI, polymer morphology) for ethylene polymerization measured both in solution and in slurry phase. Maximum solution-phase activities of 3585 kg/mol center dot h center dot bar were recorded at modest [Zr]:[Al] ratios of 1:250. These were compared to the activities recorded using the equivalent solid-supported complexes, and it was observed that sMAO was a superior support material with average increases in activity of 5.3 and 2.3 times relative to ssMAO and LDH-MAO, respectively. Most striking was the observation that slurry-phase ethylene polymerization activities using equivalent precatalysts supported on sMAO showed enhanced performance compared to the solution phase up to a maximum of 4486 kg/mol center dot h center dot bar.
• Cyclopentadiene with two coordinating sites: 1,5-bis(diphenylphosphino) -2,3,4-trimethylcyclopenta-1,3-diene
  作者：Roland Broussier、Serge Ninoreille、Corinne Legrand、Bernard Gautheron

  DOI：10.1016/s0022-328x(96)06773-3

  日期：1997.4

  The possibility of obtaining the new bidentate 1,2-diphenylphosphinocyclopentadienyl ligand has been studied. 1,5-bis(diphenylphosphino)-2,3,4-trimethylcyclopenta-1,3-diene can be formed from butanone and chlorodiphenylphosphine in eight steps. The results of chemical and spectroscopic studies reveal that a 1,5-sigmatropic migration of the diphenylphosphino group takes place: the 1,2-diphenylphosphino-substituted species are converted into 1,3 species.
• A new phosphine-functionalised [1]ferrocenophane and its use in the functionalisation of mesoporous silicas
  作者：Catherine J. Miller、Dermot O'Hare

  DOI：10.1039/b513133b

  日期：——

  The permethylated phosphine-functionalised cyclopentadienyl ligand system, Li2[Me2Si(2,3,4-Me3-5-PPh2C5)2], has been prepared starting from 1,2,3-trimethylcyclopentadiene. This ligand has been employed to prepare the novel bis(diphenyl)phosphine-functionalised silyl-bridged [1]ferrocenophane, rac-Fe[Me2Si(2,3,4-Me3-5-PPh2C5)2]. Reaction of rac-Fe[Me2Si(2,3,4-Me3-5-PPh2C5)2] with the mesoporous silicas MCM-41, MCM-48, SBA-15 leads to ring opening of the ansa-bridge and the immobilisation of phosphinoferrocenyl units onto the surface of the silicas.

  从 1,2,3-三甲基环戊二烯开始，制备了过甲基化膦功能化环戊二烯配体系统 Li2[Me2Si(2,3,4-Me3-5-Ph2C5)2]。利用这种配体制备了新型双（二苯基）膦功能化硅基桥接 [1] 二茂铁，即 rac-Fe[Me2Si(2,3,4-Me3-5-Ph2C5)2]。rac-Fe [Me2Si(2,3,4-Me3-5-Ph2C5)2]与介孔硅 MCM-41、MCM-48 和 SBA-15 反应，导致二茂铁桥开环，并将二茂铁磷单元固定在硅表面。